(E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one

C23H26N4O3 — CID 154605146

IUPAC(E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one
SMILESCN(C)C/C=C/C(=O)N1CC(COc2cc(-c3ccc(O)cc3)cn3cncc23)C1
InChIInChI=1S/C23H26N4O3/c1-25(2)9-3-4-23(29)26-12-17(13-26)15-30-22-10-19(14-27-16-24-11-21(22)27)18-5-7-20(28)8-6-18/h3-8,10-11,14,16-17,28H,9,12-13,15H2,1-2H3/b4-3+
InChIKeySXSJXZQDQDKODY-ONEGZZNKSA-N
MW406.49 g/mol
LogP2.66
Rot. Bonds7

About (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one

(E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one (PubChem CID 154605146) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one
PubChem CID154605146
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one
SMILESCN(C)C/C=C/C(=O)N1CC(COc2cc(-c3ccc(O)cc3)cn3cncc23)C1
InChIInChI=1S/C23H26N4O3/c1-25(2)9-3-4-23(29)26-12-17(13-26)15-30-22-10-19(14-27-16-24-11-21(22)27)18-5-7-20(28)8-6-18/h3-8,10-11,14,16-17,28H,9,12-13,15H2,1-2H3/b4-3+
InChIKeySXSJXZQDQDKODY-ONEGZZNKSA-N
XLogP2.66
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one?
The IUPAC name of (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one (CID 154605146) is (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one.
What is the SMILES notation for (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one?
The canonical SMILES for (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one is CN(C)C/C=C/C(=O)N1CC(COc2cc(-c3ccc(O)cc3)cn3cncc23)C1.
What is the InChIKey of (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one?
The InChIKey is SXSJXZQDQDKODY-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-25(2)9-3-4-23(29)26-12-17(13-26)15-30-22-10-19(14-27-16-24-11-21(22)27)18-5-7-20(28)8-6-18/h3-8,10-11,14,16-17,28H,9,12-13,15H2,1-2H3/b4-3+.
What are the key properties of (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one?
(E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one has a molecular weight of 406.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-1-[3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one is sourced from PubChem (CID 154605146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).